ChemicalBook--->CAS DataBase List--->37921-38-3

37921-38-3

37921-38-3 Structure

37921-38-3 Structure
IdentificationBack Directory
[Name]

Cimifugin
[CAS]

37921-38-3
[Synonyms]

CiMitin
Cimifugin
CIMIFUGIN(P)
Cimifugin, 99.5%
Cimifugin USP/EP/BP
Cimifugin (Cimitin)
Cimifugin, 98%, from Saposhnikovia divaricata (Turcz.) Schischk.
(2S)-7-(Hydroxymethyl)-2-(2-hydroxypropan-2-yl)-4-methoxy-2,3-dihydrofuro[3,2-g]chromen-5-one
(S)-2,3-Dihydro-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-5H-furo[3,2-g][1]benzopyran-5-one
5H-Furo[3,2-g][1]benzopyran-5-one, 2,3-dihydro-7-(hydroxymethyl)-2-(1-hydroxy-1-methylethyl)-4-methoxy-, (2S)-
[Molecular Formula]

C16H18O6
[MDL Number]

MFCD23105630
[MOL File]

37921-38-3.mol
[Molecular Weight]

306.32
Chemical PropertiesBack Directory
[Melting point ]

107~109℃
[Boiling point ]

546.4±50.0 °C(Predicted)
[density ]

1.361±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[form ]

powder
[pka]

14.25±0.29(Predicted)
[color ]

White-beige
[Major Application]

pharmaceutical
[InChI]

1S/C16H18O6/c1-16(2,19)13-5-9-11(22-13)6-12-14(15(9)20-3)10(18)4-8(7-17)21-12/h4,6,13,17,19H,5,7H2,1-3H3/t13-/m0/s1
[InChIKey]

ATDBDSBKYKMRGZ-ZDUSSCGKSA-N
[SMILES]

[o]1c2c([c](cc1CO)=O)c(c3c(c2)O[C@@H](C3)C(O)(C)C)OC
Questions And AnswerBack Directory
[Components]

The main components of Cimicifuga are triterpenoid polyoxygenates, chromogen ketones, phenolic acids, various chromones, odontoamol and odontoamicin. Among them, the identified structures are: isoferulic acid, 3-acetyl caffeic acid, caffeic ester glucoside, cimifugin, cimifugin glucoside, 6-isoxanthine nucleoside, cimidahurine, cimidahurinie, D-glucose, sucrose, etc.
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Soluble in methanol, DMSO and other solvents, insoluble in petroleum ether. Derived from the rhizome of Cimicifuga foetida L.
[Uses]

Cimifugin USP reference standard, intended for use in specified quality tests and assays as specified in the USP compendia. Also, for use with USP monographs such as:
  • Siler Root
  • Siler Root Dry Extract
  • Siler Root Powder
[Definition]

ChEBI: Cimifugin is an oxacycle and an organic heterotricyclic compound.
[in vivo]

Cimifugin (Cimitin; 12.5 or 50 mg/kg/day; intragastrically; 2 days) significantly inhibits TSLP and IL-33 in the initial stage of Mice are sensitized and challenged with FITC to establish type 2 atopic dermatitis (AD) model. Simultaneously, Cimifugin reduces the separated gap among the epithelial cells and increased the expression of TJs[1].

[target]

IFN-γ | IL Receptor | AChE | BChE
Spectrum DetailBack Directory
[Spectrum Detail]

Cimifugin(37921-38-3)1HNMR
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